N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide

C8H17N3O — CID 43367727

IUPACN'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
SMILESCC(CN1CCCC1)/C(N)=N/O
InChIInChI=1S/C8H17N3O/c1-7(8(9)10-12)6-11-4-2-3-5-11/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyYPQVBKLYSAGRKY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.46
Rot. Bonds3

About N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide

N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide (PubChem CID 43367727) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
PubChem CID43367727
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
SMILESCC(CN1CCCC1)/C(N)=N/O
InChIInChI=1S/C8H17N3O/c1-7(8(9)10-12)6-11-4-2-3-5-11/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyYPQVBKLYSAGRKY-UHFFFAOYSA-N
XLogP0.46
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide
CID 77030857
3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76986711
N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
CID 76986941
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43584570
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide
CID 104937389
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 114015122
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 81465364
3-(1,4-diazepan-1-yl)-2-methylpropanethioamide
CID 82162730
3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76928062
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
N'-hydroxy-2-methyl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanimidamide
CID 77069826

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide (CID 43367727) is N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide is CC(CN1CCCC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide?
The InChIKey is YPQVBKLYSAGRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(8(9)10-12)6-11-4-2-3-5-11/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide?
N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide is sourced from PubChem (CID 43367727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).